3-[5-[(E,3Z)-3-(1-ethylpyrrolidin-2-ylidene)prop-1-enyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[5-[(E,3Z)-3-(1-ethylpyrrolidin-2-ylidene)prop-1-enyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[5-[(E,3Z)-3-(1-ethylpyrrolidin-2-ylidene)prop-1-enyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[5-[(E,3Z)-3-(1-ethyl-2-pyrrolidinylidene)prop-1-enyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-propanesulfonate IUPAC Name: 3-[5-[(E,3Z)-3-(1-ethylpyrrolidin-2-ylidene)prop-1-enyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[2-[(E,3Z)-3-(1-ethylpyrrolidin-2-ylidene)prop-1-enyl]-1-pyrrolin-1-ium-1-yl]propane-1-sulfonate Formula: C16H26N2O3S MolecularWeight: 326.45424

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1=CC=CC2=[N+](CCC2)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCN\1CCC/C1=C/C=C/C2=[N+](CCC2)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C16H26N2O3S/c1-2-17-11-4-9-15(17)7-3-8-16-10-5-12-18(16)13-6-14-22(19,20)21/h3,7-8H,2,4-6,9-14H2,1H3